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NCID-ZINC01737433

 MMsINC code: MMs02358390
Type: Neutral
Formula: C14H21N2OP
SMILES:   P(=O)(N1CCCC1)(N1CCCC1)c1ccccc1
InChI:   InChI=1/C14H21N2OP/c17-18(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.45687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.309 g/mol  logS: -1.57662  SlogP: 1.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221392  Sterimol/B1: 2.29223  Sterimol/B2: 3.43581  Sterimol/B3: 4.49719
  Sterimol/B4: 8.57297  Sterimol/L: 11.367 
 
 Surface and Volume Properties
  Accessible surface: 484.943  Positive charged surface: 352.552  Negative charged surface: 132.391  Volume: 265.5
  Hydrophobic surface: 462.759  Hydrophilic surface: 22.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.